Amsterdam density functional computer program

Valence bond (VB) theory may be used as an alternative to molecular orbital (MO) theory for computational organotin studies. Most MO calculations of organotin systems use Gaussian, GAMESS, or Amsterdam density functional (ADE) program suites. A variety of VB methods exist, and although VB wavefunctions are more difficult to calculate, some VB methods can also be implemented in these programs. ... 

C. Fonseca Guerra, O. Visser, J. G. Snijders, G. te Velde, and E. J. Baerends, in Methods and Techniques for Computational Chemistry, E. Clementi and G. Corongiu, Eds., STEF, Cagliari, Italy, 1995, pp. 305-395, and references therein. Parallelisation of the Amsterdam Density Functional Program. 

Amsterdam Density Functional (ADF) is an accurate, parallelized, and powerful computational chemistiy program used to understand and predict chemical stmcture and reactivity with DFT [60], It is a popular tool to predict and imderstand magnetic, electric, optical, and vibrational spectra [61]. Heavy elements and transition metals can be modeled with ADF s relativistic zeroth order regular approximation (ZORA) approach and all-electron basis sets for the whole periodic table. It can be nsed to compnte IR freqnencies and intensities, vibrational circular dichroism (VCD), mobile block Hes-... 

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